4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one

C14H19N3O — CID 113278010

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1cccc2c1NCC2
InChIInChI=1S/C14H19N3O/c1-10-14(18)16-7-8-17(10)9-12-4-2-3-11-5-6-15-13(11)12/h2-4,10,15H,5-9H2,1H3,(H,16,18)
InChIKeyJYBUTOUCVIOUFA-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.97
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one

4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one (PubChem CID 113278010) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
PubChem CID113278010
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1cccc2c1NCC2
InChIInChI=1S/C14H19N3O/c1-10-14(18)16-7-8-17(10)9-12-4-2-3-11-5-6-15-13(11)12/h2-4,10,15H,5-9H2,1H3,(H,16,18)
InChIKeyJYBUTOUCVIOUFA-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one (CID 113278010) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1Cc1cccc2c1NCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one?
The InChIKey is JYBUTOUCVIOUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-14(18)16-7-8-17(10)9-12-4-2-3-11-5-6-15-13(11)12/h2-4,10,15H,5-9H2,1H3,(H,16,18).
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 113278010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).